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Substance Name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester
RN: 94609-90-2
InChIKey: JPKRBGMUYHFBAA-CEZDEDDDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C36-H43-F2-N-O5

Molecular Weight

  • 607.7337
 
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Names and Synonyms

Synonym

  • BRN 6034537

Systematic Name

  • 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-(difluoromethoxy)phenyl)-2,6-dimethyl-, bis(tricyclo(3.3.1.1(sup 3,7))dec-1-yl ester

Registry Numbers

CAS Registry Number

  • 94609-90-2

System Generated Number

  • 0094609902

Structure Descriptors

InChI

1S/C36H43F2NO5/c1-19-29(32(40)43-35-13-21-7-22(14-35)9-23(8-21)15-35)31(27-5-3-4-6-28(27)42-34(37)38)30(20(2)39-19)33(41)44-36-16-24-10-25(17-36)12-26(11-24)18-36/h3-6,21-26,31,34,39H,7-18H2,1-2H3/t21-,22+,23-,24-,25+,26-,31?,35?,36?

InChIKey

JPKRBGMUYHFBAA-CEZDEDDDSA-N

Smiles

CC1=C(C(C(=C(N1)C)C(=O)OC23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c5c(cccc5)OC(F)F)C(=O)OC67C[C@H]8C[C@@H](C6)C[C@@H](C7)C8

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 8400mg/kg (8400mg/kg)   Khimiko-Farmatsevticheskii Zhurnal. Chemical Pharmaceutical Journal. For English translation, see PCJOAU. Vol. 22, Pg. 810, 1988.